Geometry & MOs

Info

ID:	415232
PubChem CID:	135088224
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	297.113171
ΔH_f, kcal/mol:	-116.4
Dipole, Da:	6.94
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(3-chlorophenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)O)C(C)C

DOS

IR

Vibrations